LAQV @ REQUIMTE associated laboratory.

The main area of scientific research:
  Theoretical and Computational Chemistry.

Currently, my scientific interests are:



The close interactions between amino acids within the framework of proteins and their importance to the folding process.

Statistical study of amino acid sequences in protein data bases in order to get some insights into the problem of 3D structure prediction and stabilization.


The effect of confinement on the properties of molecular systems:

The structure, conformational equilibrium and energetics of host/guest complexes.


MD and MC simulations of gas storage and flow in nanopores such as Carbon Nanotubes and those formed in some organic crystals.




Analysis of chemical reactions inside Carbon nanotubes.